2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid

C15H21NO3 — CID 117199203

IUPAC2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
SMILESCC(C)N1c2cccc(O)c2CC1C(C)(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-9(2)16-11-6-5-7-12(17)10(11)8-13(16)15(3,4)14(18)19/h5-7,9,13,17H,8H2,1-4H3,(H,18,19)
InChIKeyICTYXMDGKQGPEC-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid

2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid (PubChem CID 117199203) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
PubChem CID117199203
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
SMILESCC(C)N1c2cccc(O)c2CC1C(C)(C)C(=O)O
InChIInChI=1S/C15H21NO3/c1-9(2)16-11-6-5-7-12(17)10(11)8-13(16)15(3,4)14(18)19/h5-7,9,13,17H,8H2,1-4H3,(H,18,19)
InChIKeyICTYXMDGKQGPEC-UHFFFAOYSA-N
XLogP2.64
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid (CID 117199203) is 2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid is CC(C)N1c2cccc(O)c2CC1C(C)(C)C(=O)O.
What is the InChIKey of 2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
The InChIKey is ICTYXMDGKQGPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-9(2)16-11-6-5-7-12(17)10(11)8-13(16)15(3,4)14(18)19/h5-7,9,13,17H,8H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid?
2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 117199203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).